7-chloro-4-[3-(ethoxymethyl)piperidin-1-yl]quinazoline

C16H20ClN3O — CID 86949423

IUPAC7-chloro-4-[3-(ethoxymethyl)piperidin-1-yl]quinazoline
SMILESCCOCC1CCCN(c2ncnc3cc(Cl)ccc23)C1
InChIInChI=1S/C16H20ClN3O/c1-2-21-10-12-4-3-7-20(9-12)16-14-6-5-13(17)8-15(14)18-11-19-16/h5-6,8,11-12H,2-4,7,9-10H2,1H3
InChIKeyNERMYEWLFFWFBL-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.54
Rot. Bonds4

About 7-chloro-4-[3-(ethoxymethyl)piperidin-1-yl]quinazoline

7-chloro-4-[3-(ethoxymethyl)piperidin-1-yl]quinazoline (PubChem CID 86949423) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 7-chloro-4-[3-(ethoxymethyl)piperidin-1-yl]quinazoline.

Molecular Properties

Compound Name7-chloro-4-[3-(ethoxymethyl)piperidin-1-yl]quinazoline
PubChem CID86949423
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name7-chloro-4-[3-(ethoxymethyl)piperidin-1-yl]quinazoline
SMILESCCOCC1CCCN(c2ncnc3cc(Cl)ccc23)C1
InChIInChI=1S/C16H20ClN3O/c1-2-21-10-12-4-3-7-20(9-12)16-14-6-5-13(17)8-15(14)18-11-19-16/h5-6,8,11-12H,2-4,7,9-10H2,1H3
InChIKeyNERMYEWLFFWFBL-UHFFFAOYSA-N
XLogP3.54
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(7-chloroquinazolin-4-yl)-N,N-dimethylpiperidin-3-amine
CID 86885508
7-chloro-4-(4-ethyl-1,4-diazepan-1-yl)quinazoline
CID 86933291
2-chloro-3-[3-(ethoxymethyl)piperidin-1-yl]pyrazine
CID 121201431
4-chloro-2-[3-(ethoxymethyl)piperidin-1-yl]benzonitrile
CID 133304344
1-[[1-(7-chloroquinazolin-4-yl)piperidin-3-yl]methyl]-3-(4-methylphenyl)urea
CID 86882662
7-chloro-4-[3-(4-methoxyphenyl)pyrrolidin-1-yl]quinazoline
CID 86876437
1-[4-(7-chloroquinazolin-4-yl)-2-methylpiperazin-1-yl]propan-1-one
CID 135188333
4-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-7-chloroquinazoline
CID 24606917
1-(7-chloroquinazolin-4-yl)piperidin-4-ol
CID 17488821
7-methoxy-4-(3-methylpiperidin-1-yl)quinazoline
CID 110433305
1-(6-chloroquinazolin-4-yl)-N-methylsulfanylpiperidin-3-amine
CID 142582714
4-[[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]methyl]morpholine
CID 87015234

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-[3-(ethoxymethyl)piperidin-1-yl]quinazoline?
The IUPAC name of 7-chloro-4-[3-(ethoxymethyl)piperidin-1-yl]quinazoline (CID 86949423) is 7-chloro-4-[3-(ethoxymethyl)piperidin-1-yl]quinazoline.
What is the SMILES notation for 7-chloro-4-[3-(ethoxymethyl)piperidin-1-yl]quinazoline?
The canonical SMILES for 7-chloro-4-[3-(ethoxymethyl)piperidin-1-yl]quinazoline is CCOCC1CCCN(c2ncnc3cc(Cl)ccc23)C1.
What is the InChIKey of 7-chloro-4-[3-(ethoxymethyl)piperidin-1-yl]quinazoline?
The InChIKey is NERMYEWLFFWFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-2-21-10-12-4-3-7-20(9-12)16-14-6-5-13(17)8-15(14)18-11-19-16/h5-6,8,11-12H,2-4,7,9-10H2,1H3.
What are the key properties of 7-chloro-4-[3-(ethoxymethyl)piperidin-1-yl]quinazoline?
7-chloro-4-[3-(ethoxymethyl)piperidin-1-yl]quinazoline has a molecular weight of 305.81 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-[3-(ethoxymethyl)piperidin-1-yl]quinazoline is sourced from PubChem (CID 86949423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).